N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine

C16H25NO — CID 115563697

IUPACN-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCCc1ccc(CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)12-17-15-9-10-18-16(2,3)11-15/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyNPDJLWLYIOCQLG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.30
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine

N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 115563697) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID115563697
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCCc1ccc(CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)12-17-15-9-10-18-16(2,3)11-15/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyNPDJLWLYIOCQLG-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
CID 115563782
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563685
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]oxan-4-amine
CID 105378639
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071
3-[[(2,2-dimethyloxan-4-yl)amino]methyl]benzoic acid
CID 103261138
N-[[4-(dimethylamino)phenyl]methyl]-N'-(2,2-dimethyloxan-4-yl)ethane-1,2-diamine
CID 42649549
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine (CID 115563697) is N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine is CCc1ccc(CNC2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is NPDJLWLYIOCQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)12-17-15-9-10-18-16(2,3)11-15/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 247.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115563697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).